# generated using pymatgen
data_Ni3S2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39439973
_cell_length_b   3.39439973
_cell_length_c   20.72134882
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3S2
_chemical_formula_sum   'Ni9 S6'
_cell_volume   206.76385548
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ni  Ni0  1  0.00000000  0.00000000  0.10508500  1
  Ni  Ni1  1  0.66666700  0.33333300  0.32410200  1
  Ni  Ni2  1  0.33333300  0.66666700  0.17668500  1
  Ni  Ni3  1  0.66666700  0.33333300  0.43841900  1
  Ni  Ni4  1  0.33333300  0.66666700  0.65743600  1
  Ni  Ni5  1  0.00000000  0.00000000  0.51001800  1
  Ni  Ni6  1  0.33333300  0.66666700  0.77175200  1
  Ni  Ni7  1  0.00000000  0.00000000  0.99076900  1
  Ni  Ni8  1  0.66666700  0.33333300  0.84335200  1
  S  S9  1  0.33333300  0.66666700  0.04862600  1
  S  S10  1  0.66666700  0.33333300  0.22050100  1
  S  S11  1  0.00000000  0.00000000  0.38195900  1
  S  S12  1  0.33333300  0.66666700  0.55383500  1
  S  S13  1  0.66666700  0.33333300  0.71529300  1
  S  S14  1  0.00000000  0.00000000  0.88716800  1
